ATOMIC_SPECIES
Ti  47.8670 Ti_ONCV_PBE-1.2.upf upf201
Al  26.9815 Al.upf upf201

NUMERICAL_ORBITAL
Ti_gga_7au_100Ry_4s2p2d1f.orb
Al_gga_8au_100Ry_2s2p1d.orb

LATTICE_CONSTANT
1.8897260000

LATTICE_VECTORS
        2.8207855730        0.0000000000        0.0000000000
        0.0000000000        2.8207855730        0.0000000000
       -0.0000000000       -0.0000000000        4.0988600822

ATOMIC_POSITIONS
Direct

Ti #label
0.0000   #magnetism
1 #number of atoms
        0.5000000000        0.5000000000        0.5000000000 m 1 1 1

Al #label
0.0000   #magnetism
1 #number of atoms
        0.0000000000        0.0000000000        0.0000000000 m 1 1 1
